SEQ2FUN

BioLiP

PDB CCD ID: JFV
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N O3
InChI: InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3
InChIKey: FXHKMQZPYDWTCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1ccccc1Oc2ccc(N)cc2
ACDLabs 12.01c2(Oc1ccc(cc1)N)c(C(OC)=O)cccc2
OpenEye OEToolkits 2.0.6COC(=O)c1ccccc1Oc2ccc(cc2)N
Name:methyl 2-(4-aminophenoxy)benzoate
ZINC: ZINC000000168899
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).